5-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,2-oxazole

C9H8F3N3O — CID 170409590

IUPAC5-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,2-oxazole
SMILESCc1cc(-c2ccno2)nn1CC(F)(F)F
InChIInChI=1S/C9H8F3N3O/c1-6-4-7(8-2-3-13-16-8)14-15(6)5-9(10,11)12/h2-4H,5H2,1H3
InChIKeyWUBLJATWZHUDEH-UHFFFAOYSA-N
MW231.18 g/mol
LogP2.41
Rot. Bonds2

About 5-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,2-oxazole

5-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,2-oxazole (PubChem CID 170409590) has the molecular formula C9H8F3N3O and a molecular weight of 231.18 g/mol. Its IUPAC name is 5-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,2-oxazole
PubChem CID170409590
Molecular FormulaC9H8F3N3O
Molecular Weight231.18 g/mol
Exact Mass231.06
IUPAC Name5-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,2-oxazole
SMILESCc1cc(-c2ccno2)nn1CC(F)(F)F
InChIInChI=1S/C9H8F3N3O/c1-6-4-7(8-2-3-13-16-8)14-15(6)5-9(10,11)12/h2-4H,5H2,1H3
InChIKeyWUBLJATWZHUDEH-UHFFFAOYSA-N
XLogP2.41
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.18
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cyanoimino-[1,5-dimethyl-3-(3-methyl-1,2-oxazol-5-yl)pyrazol-4-yl]-oxidoazanium
CID 54586770
5-(1-Ethyl-1H-pyrazol-3-YL)isoxazole-3-carboxylic acid
CID 19620908
7,7-Dimethyl-3-(1,2-oxazol-5-yl)-1-(2,2,2-trifluoroethyl)-5,6-dihydroindazol-4-one
CID 22732979
5-[4-[1-Methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]-1,2-oxazole
CID 69395912
3-(1-Methyl-1H-pyrazol-5-yl)-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole
CID 86684877
5-(4-Iodo-2-methylpyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]-1,2-oxazole
CID 89558691
3-[2-(3,3,3-Trifluoropropyl)pyrazol-3-yl]-1,2-oxazole
CID 141427955
3-[1-(3,3,3-Trifluoropropyl)pyrazol-3-yl]-1,2-oxazole
CID 141427963
5-[1-(2,2-Difluoropropyl)-5-methylpyrazol-3-yl]-1,2-oxazole
CID 170408968
Ethane;5-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,2-oxazole
CID 177229996
5-(1,5-dimethyl-1H-pyrazol-4-yl)isoxazole
CID 7016452
5-(1-methylpyrazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 138016935

Frequently Asked Questions

What is the IUPAC name of 5-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,2-oxazole?
The IUPAC name of 5-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,2-oxazole (CID 170409590) is 5-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,2-oxazole.
What is the SMILES notation for 5-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,2-oxazole?
The canonical SMILES for 5-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,2-oxazole is Cc1cc(-c2ccno2)nn1CC(F)(F)F.
What is the InChIKey of 5-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,2-oxazole?
The InChIKey is WUBLJATWZHUDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3O/c1-6-4-7(8-2-3-13-16-8)14-15(6)5-9(10,11)12/h2-4H,5H2,1H3.
What are the key properties of 5-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,2-oxazole?
5-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,2-oxazole has a molecular weight of 231.18 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1,2-oxazole is sourced from PubChem (CID 170409590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).